1,3-diphenylprop-2-en-1-one;1-phenylethanone

C23H20O2 — CID 174503115

IUPAC1,3-diphenylprop-2-en-1-one;1-phenylethanone
SMILESCC(=O)c1ccccc1.O=C(C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H12O.C8H8O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;1-7(9)8-5-3-2-4-6-8/h1-12H;2-6H,1H3
InChIKeyJLCVZWZXQZJLNG-UHFFFAOYSA-N
MW328.41 g/mol
LogP5.47
Rot. Bonds4

About 1,3-diphenylprop-2-en-1-one;1-phenylethanone

1,3-diphenylprop-2-en-1-one;1-phenylethanone (PubChem CID 174503115) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1,3-diphenylprop-2-en-1-one;1-phenylethanone.

Molecular Properties

Compound Name1,3-diphenylprop-2-en-1-one;1-phenylethanone
PubChem CID174503115
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Name1,3-diphenylprop-2-en-1-one;1-phenylethanone
SMILESCC(=O)c1ccccc1.O=C(C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H12O.C8H8O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;1-7(9)8-5-3-2-4-6-8/h1-12H;2-6H,1H3
InChIKeyJLCVZWZXQZJLNG-UHFFFAOYSA-N
XLogP5.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
benzaldehyde;carbanide;(E)-1,3-diphenylprop-2-en-1-one;ethane;1-phenylethanone;yttrium
CID 157490612
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone
CID 160723303
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
(E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene
CID 163750701
4-bromobenzaldehyde;(E)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one;1-phenylethanone
CID 162251763
dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one
CID 174799278
(E)-3-(3-methylphenyl)-1-phenylprop-2-en-1-one;(E)-4-phenylbut-3-en-2-one
CID 161243705
(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832
1,3-diphenylprop-2-en-1-one;1H-pyrrole
CID 70390442

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylprop-2-en-1-one;1-phenylethanone?
The IUPAC name of 1,3-diphenylprop-2-en-1-one;1-phenylethanone (CID 174503115) is 1,3-diphenylprop-2-en-1-one;1-phenylethanone.
What is the SMILES notation for 1,3-diphenylprop-2-en-1-one;1-phenylethanone?
The canonical SMILES for 1,3-diphenylprop-2-en-1-one;1-phenylethanone is CC(=O)c1ccccc1.O=C(C=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diphenylprop-2-en-1-one;1-phenylethanone?
The InChIKey is JLCVZWZXQZJLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O.C8H8O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;1-7(9)8-5-3-2-4-6-8/h1-12H;2-6H,1H3.
What are the key properties of 1,3-diphenylprop-2-en-1-one;1-phenylethanone?
1,3-diphenylprop-2-en-1-one;1-phenylethanone has a molecular weight of 328.41 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylprop-2-en-1-one;1-phenylethanone is sourced from PubChem (CID 174503115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).